1-butyl-3-methylidene-5-propylpyrrolidin-2-one

C12H21NO — CID 86155260

IUPAC1-butyl-3-methylidene-5-propylpyrrolidin-2-one
SMILESC=C1CC(CCC)N(CCCC)C1=O
InChIInChI=1S/C12H21NO/c1-4-6-8-13-11(7-5-2)9-10(3)12(13)14/h11H,3-9H2,1-2H3
InChIKeyFEVZHQOYEXFVFR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds5

About 1-butyl-3-methylidene-5-propylpyrrolidin-2-one

1-butyl-3-methylidene-5-propylpyrrolidin-2-one (PubChem CID 86155260) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-butyl-3-methylidene-5-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-methylidene-5-propylpyrrolidin-2-one
PubChem CID86155260
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-butyl-3-methylidene-5-propylpyrrolidin-2-one
SMILESC=C1CC(CCC)N(CCCC)C1=O
InChIInChI=1S/C12H21NO/c1-4-6-8-13-11(7-5-2)9-10(3)12(13)14/h11H,3-9H2,1-2H3
InChIKeyFEVZHQOYEXFVFR-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methylidene-5-pentylpyrrolidin-2-one
CID 44400386
Octanamide, N,N-diethyl-2-methylene-
CID 12142598
5,5-Bis(2-methylprop-2-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 58193780
2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 13113482
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
(8S)-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 101426895
1-(Methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 135010990
(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 135045190
(8R)-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 135045271
1-Cycloheptyl-4-methylidenepyrrolidin-2-one
CID 138969436
5-Buta-1,3-dien-2-yl-1-prop-2-enylpyrrolidin-2-one
CID 12104442
5-Buta-1,3-dien-2-yl-1-pent-4-enylpyrrolidin-2-one
CID 12104443

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylidene-5-propylpyrrolidin-2-one?
The IUPAC name of 1-butyl-3-methylidene-5-propylpyrrolidin-2-one (CID 86155260) is 1-butyl-3-methylidene-5-propylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-3-methylidene-5-propylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-3-methylidene-5-propylpyrrolidin-2-one is C=C1CC(CCC)N(CCCC)C1=O.
What is the InChIKey of 1-butyl-3-methylidene-5-propylpyrrolidin-2-one?
The InChIKey is FEVZHQOYEXFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-8-13-11(7-5-2)9-10(3)12(13)14/h11H,3-9H2,1-2H3.
What are the key properties of 1-butyl-3-methylidene-5-propylpyrrolidin-2-one?
1-butyl-3-methylidene-5-propylpyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylidene-5-propylpyrrolidin-2-one is sourced from PubChem (CID 86155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).